2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol

C19H29NO — CID 63495850

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN2CCCc3ccccc32)C1
InChIInChI=1S/C19H29NO/c1-14(2)16-9-10-19(21)17(12-16)13-20-11-5-7-15-6-3-4-8-18(15)20/h3-4,6,8,14,16-17,19,21H,5,7,9-13H2,1-2H3
InChIKeyDMAQWPKEUQTRHP-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.87
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63495850) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID63495850
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN2CCCc3ccccc32)C1
InChIInChI=1S/C19H29NO/c1-14(2)16-9-10-19(21)17(12-16)13-20-11-5-7-15-6-3-4-8-18(15)20/h3-4,6,8,14,16-17,19,21H,5,7,9-13H2,1-2H3
InChIKeyDMAQWPKEUQTRHP-UHFFFAOYSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroindol-1-ylmethyl)cyclopentan-1-ol
CID 62609345
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 63484507
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
CID 3085415
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethyloxolan-3-amine
CID 66259707
[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
CID 99109815
1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 104752968
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703990
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol (CID 63495850) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN2CCCc3ccccc32)C1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is DMAQWPKEUQTRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)16-9-10-19(21)17(12-16)13-20-11-5-7-15-6-3-4-8-18(15)20/h3-4,6,8,14,16-17,19,21H,5,7,9-13H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63495850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).